Monomers

2-Cyclohexylacrylic acid methyl ester

Identifiers

IUPAC name
methyl 2-cyclohexylprop-2-enoate
InchI
InChI=1S/C10H16O2/c1-8(10(11)12-2)9-6-4-3-5-7-9/h9H,1,3-7H2,2H3
InchI Key
XHYNRSNMLFADHQ-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)C1CCCCC1
Canonical SMILES
COC(=O)C(=C)C1CCCCC1
Isomeric SMILES
COC(=O)C(=C)C1CCCCC1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H16O2
Heavy Atom Count
12
Molecular Weight
168.236
Exact Molecular Weight
168.115
Valence Electrons
68
Radical Electrons
0
tPSA
26.3
MolLogP
2.2959
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
1
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 28 28  0  0  0  0  0  0  0  0999 V2000
    4.0846    1.1302   -0.3825 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2810    0.0470    0.0375 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9023    0.1842    0.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4262    1.3003   -0.2368 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0371   -0.9246    0.5300 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5923   -2.0623    0.8648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4374   -0.7360    0.5796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9228   -0.5154   -0.8309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4369   -0.4710   -0.9031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0298    0.2795    0.2595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0165    1.1743    0.9403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8611    0.3582    1.5053 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5067    2.0628   -0.5193 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7953    1.3356    0.4642 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6885    0.9109   -1.2739 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6537   -2.1760    0.8218 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9711   -2.8762    1.1817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8924   -1.6845    0.9309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6023   -1.3960   -1.4294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4609    0.3868   -1.2694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8641   -1.4997   -0.9658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6992    0.0841   -1.8276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8661    0.8985   -0.0764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4116   -0.4219    1.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5368    1.7172    1.7480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5868    1.9218    0.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2560   -0.0756    2.4682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0581    1.0479    1.7840 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  7  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  6 16  1  0
  6 17  1  0
  7 18  1  0
  8 19  1  0
  8 20  1  0
  9 21  1  0
  9 22  1  0
 10 23  1  0
 10 24  1  0
 11 25  1  0
 11 26  1  0
 12 27  1  0
 12 28  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers